Basic information
- CAS
2478-92-4- Standard SMILES
CCOP(C)(=O)SCC[N+](C)(C)C.[I-]- InChIKey
CPKWXPBTBIGHPG-UHFFFAOYSA-M- Molecular formula
- C8H21INO2PS
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 353.00753
Names & identifiers
- Preferred name
- Methylethoxyphosphorylthiocholine iodide
- IUPAC
- 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-trimethylazanium iodide
Names & synonyms
Methylethoxyphosphorylthiocholine iodideEthoxy methylphosphoryl thio choline iodide2478-92-4O-Ethyl S-trimethylammoniumethyl methylphosphonothioate iodideAmmonium, (2-mercaptoethyl)trimethyl-, iodide, ethyl methylphosphonothioate, (ester)Ammonium, (2-mercaptoethyl)trimethyl-, iodide, S-ester with O-ethyl methylphosphonothioateRefChem:357010DTXSID60947689CPKWXPBTBIGHPG-UHFFFAOYSA-M2-{[Ethoxy(methyl)phosphoryl]sulfanyl}-N,N,N-trimethylethan-1-aminium iodide
Database identifiers
- CAS
2478-92-4- PubChem CID
- 17199
- DTXSID
DTXSID60947689
Properties
Computed structural properties
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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